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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01879163

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2NHN-ACETYL-S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-
2,6,10-TRIENYL]-L-CYSTEINYL-D-VALYL-
L-ISOLEUCYL-L-METHIONINE		B1O1T0.77
AMEN-ACETYLMETHIONINEA,B,C,D1SJA0.7
AMEN-ACETYLMETHIONINEA,B2J4Y0.7
HCGDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-GLYCINE		A1W030.75
HCGDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-GLYCINE		A1W040.75
LA2N~6~-[(6R)-6,8-disulfanyloctanoyl]-
L-lysine		A,B,C,D3CRK0.74
LA2N~6~-[(6R)-6,8-disulfanyloctanoyl]-
L-lysine		A,B,C,D3CRL0.74
IP1ISOPENICILLIN NA1QJE0.72
HT5(4S)-4-(decanoylamino)-5-hydroxy-
3,4-dihydro-2H-thiophenium		A,B,C,D2VC70.7
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID		A,B2J9P0.72
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID		A,B,C,D2VGK0.72
IGN{[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)AMINO]CARBONYL}PIPERIDINYL)-
1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]AMINO}ACETIC ACID		A1K1O0.72
IGN{[(1R)-2-((2S)-2-{[(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)AMINO]CARBONYL}PIPERIDINYL)-
1-(CYCLOHEXYLMETHYL)-2-OXOETHYL]AMINO}ACETIC ACID		H,I1K210.72
CYKN-hexanoyl-L-homocysteineA3DHC0.75
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE		A1IKI0.75
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.71
HJ2(2R)-2-[(R)-{[(6S)-6-amino-6-carboxyhexanoyl]amino}(carboxy)methyl]-
5-methyl-3,6-dihydro-2H-1,3-thiazine-
4-carboxylic acid		A3BEC0.72
PCJ(2R)-3-{[(2S)-3-HYDROXY-2-(PALMITOYLAMINO)PROPYL]THIO}PROPANE-
1,2-DIYL DIHEXADECANOATE		A,N2Z810.71
PCJ(2R)-3-{[(2S)-3-HYDROXY-2-(PALMITOYLAMINO)PROPYL]THIO}PROPANE-
1,2-DIYL DIHEXADECANOATE		A,B,C2Z7X0.71
ACCN-[N-[2-AMINO-6-OXO-HEXANOIC ACID-
6-YL]CYSTEINYL]-S-METHYLCYSTEINE		A1QIQ0.81
GDSOXIDIZED GLUTATHIONE DISULFIDEA,B1YKC0.73
GDSOXIDIZED GLUTATHIONE DISULFIDEA2GRT0.73
GDSOXIDIZED GLUTATHIONE DISULFIDEA3GX00.73
GTTGLUTATHIONEA,B11GS0.7
GTTGLUTATHIONEA1GSN0.7
GTTGLUTATHIONEA,C1K0B0.7
GTTGLUTATHIONEA,B,C1K0D0.7
GTTGLUTATHIONEA,B6GSY0.7
GTTGLUTATHIONEA,B19GS0.7
GTTGLUTATHIONEA1FLJ0.7
GTTGLUTATHIONEA,B3DD30.7
GTTGLUTATHIONEA2PVQ0.7
GTTGLUTATHIONEA1DNC0.7
GTTGLUTATHIONEA,B,C,D,E,F,
G,H,I,J,K,L		2PNO0.7
GTTGLUTATHIONEA,B,C,D3CSI0.7
GTTGLUTATHIONEA,B6GSS0.7
GTTGLUTATHIONEA2R4V0.7
GTTGLUTATHIONEA,B,C,D3FZ50.7
GTTGLUTATHIONEA,B3GSS0.7
GTTGLUTATHIONEA,B2F8F0.7
GTTGLUTATHIONEA,B1GSY0.7
GTTGLUTATHIONEA1PMT0.7
GTTGLUTATHIONEA,B1GSE0.7
GTTGLUTATHIONEA,B,C,D1F2E0.7
GTTGLUTATHIONEA1UW30.7
GTTGLUTATHIONEA,B1SS40.7
GTTGLUTATHIONEA,B5GSS0.7
GTTGLUTATHIONEA1GRX0.7
GTTGLUTATHIONEA,B7GSS0.7
GTTGLUTATHIONEA1UA50.7
GTTGLUTATHIONEA,B,C8GSS0.7
GTTGLUTATHIONEA,B1LJR0.7
GTTGLUTATHIONEA,B,C,D1OYJ0.7
GTTGLUTATHIONEA,B,C,D2E7P0.7
GTTGLUTATHIONEA,B,C,D,E,F2GDR0.7
GTTGLUTATHIONEA,B,C,D2WEM0.7
GTTGLUTATHIONEA,B1K0A0.7
GTTGLUTATHIONEA,B3EE20.7
GTTGLUTATHIONEA3G5S0.7
GTTGLUTATHIONEA1HNL0.7
GTTGLUTATHIONEA,B,C,D1K0C0.7
GTTGLUTATHIONEA,B6GST0.7
GTTGLUTATHIONEA,B1TU70.7
GTTGLUTATHIONEA2H8A0.7
GTTGLUTATHIONEA,B,C,D2PMT0.7
GTTGLUTATHIONEA2UUH0.7
GTTGLUTATHIONEA,B1ZL90.7
GTTGLUTATHIONEA,B1QH50.7
GTTGLUTATHIONE1,21PD20.7
GTTGLUTATHIONEA,B3CSH0.7
GTTGLUTATHIONEA,C1JZR0.7
GTTGLUTATHIONEA2NTO0.7
GTTGLUTATHIONEA,B1KBN0.7
GTTGLUTATHIONEA3GRX0.7
GTTGLUTATHIONEA1B4Q0.7
GTTGLUTATHIONEA,B1PKW0.7
GTTGLUTATHIONEA1K0N0.7
GTTGLUTATHIONEA,B,C,D2DSA0.7
GTTGLUTATHIONEA,B2HNL0.7
GTTGLUTATHIONEA,B,C,D,E,F,
G,H		2ON50.7
GTTGLUTATHIONEA1GSA0.7
ACWD-(L-A-AMINOADIPOYL)-L-CYSTEINYL-
B-METHYL-D-CYCLOPROPYLGLYCINE		B2IVI0.76
AXQ{(E)-(3R,6S,9R)-3-[(1S,3R)-3-((S)-
1 -BUTYLCARBAMOYL-2-METHYL-PROPYLCARB AMOYL)-
1-HYDROXY-BUTYL]-6-METHYL-5, 8-
DIOXO-1,11-DITHIA-4,7-DIAZA-CYCLO PENTADEC-
13-EN-9-YL}-CARBAMIC ACID TERT-
BUTYL ESTER		A,B,C2F3E0.73
CDHD-(L-A-AMINOADIPOYL)-L-CYSTEINYL-
D-ISODEHYDROVALINE		A1UZW0.7
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1FHE0.7
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA2CA80.7
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1GNE0.7
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B3D5J0.7
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D,E,F,
G,H		2VCR0.7
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B2WCI0.7
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D1OYJ0.7
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2VCV0.7
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1U3I0.7
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B,C,D1XA80.7
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B2BRQ0.7
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA2CAQ0.7
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA1U870.7
GSWD-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINEA,B1M0U0.7
SMGN-SUCCINYL METHIONINEA,B,C,D1SJC0.7
AHE2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-
2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-
BUTYRIC ACID		A3BHM0.73
AHE2-AMINO-4-[1-CARBOXYMETHYL-CARBAMOYL)-
2-HYDROXYMETHYLSULFANYL-ETHYLCARBAMOYL]-
BUTYRIC ACID		A,B1MC50.73
GTYL-GAMMA-GLUTAMYL-S-OCTYL-D-CYSTEINYLGLYCINEA1U880.79
NMP2-[2-(2-CYCLOHEXYL-2-GUANIDINO-
ACETYLAMINO)-ACETYLAMINO]-N-(3-
MERCAPTO-PROPYL)-PROPIONAMIDE		A1M4B0.71
GTXS-HEXYLGLUTATHIONEA,B1K3Y0.77
GTXS-HEXYLGLUTATHIONEA,B1AGS0.77
GTXS-HEXYLGLUTATHIONEA,B1PN90.77
GTXS-HEXYLGLUTATHIONEA,B1Q4J0.77
GTXS-HEXYLGLUTATHIONEA,B2IMK0.77
GTXS-HEXYLGLUTATHIONEA,B4GSS0.77
GTXS-HEXYLGLUTATHIONEA,B,C1GWC0.77
GTXS-HEXYLGLUTATHIONEA,B,C,D2C3Q0.77
GTXS-HEXYLGLUTATHIONEA,B,C,D1TU80.77
GTXS-HEXYLGLUTATHIONEA,B2GLR0.77
GTXS-HEXYLGLUTATHIONEA,B2OA70.77
GTXS-HEXYLGLUTATHIONEA,C2AAW0.77
GTXS-HEXYLGLUTATHIONEA,B1VF20.77
GTXS-HEXYLGLUTATHIONEA1M9A0.77
GTXS-HEXYLGLUTATHIONEA,B17GS0.77
GTXS-HEXYLGLUTATHIONEA,B1K0A0.77
GTXS-HEXYLGLUTATHIONEA,B2R3X0.77
GTXS-HEXYLGLUTATHIONEA,B1GSU0.77
GTXS-HEXYLGLUTATHIONEA,B2C800.77
GTXS-HEXYLGLUTATHIONEA,B2R6K0.77
GTXS-HEXYLGLUTATHIONEA,B1PGT0.77
GTXS-HEXYLGLUTATHIONEA,B2J9H0.77
GTXS-HEXYLGLUTATHIONEA,B1K3L0.77
GTXS-HEXYLGLUTATHIONEA,B1GNW0.77
GTXS-HEXYLGLUTATHIONEA,B,C,D1BH50.77
GTXS-HEXYLGLUTATHIONEA,B1YDK0.77
GTXS-HEXYLGLUTATHIONEA,B9GSS0.77
A14(1S,4S,5S,7R)-7-{[(5S)-5-AMINO-
5-CARBOXYPENTANOYL]AMINO}-3,3-DIMETHYL-
6-OXO-2-THIABICYCLO[3.2.0]HEPTANE-
4-CARBOXYLIC ACID		A2JB40.71
HEL(2S,5R,6R)-6-{[(6R)-6-(GLYCYLAMINO)-
7-OXIDO-7-OXOHEPTANOYL]AMINO}-3,3-
DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-
2-CARBOXYLATE		A1PWG0.72
HEL(2S,5R,6R)-6-{[(6R)-6-(GLYCYLAMINO)-
7-OXIDO-7-OXOHEPTANOYL]AMINO}-3,3-
DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-
2-CARBOXYLATE		A1PW10.72
HFVDELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-L-3,3,3,3',3',3'-HEXAFLUOROVALINE		A2BU90.74
RO4[[1-[N-HYDROXY-ACETAMIDYL]-3-METHYL-
BUTYL]-CARBONYL-LEUCINYL]-ALANINE ETHYL ESTER		A2TCL0.71
AFJ(2R,4S,5S)-N-butyl-4-hydroxy-2,7-
dimethyl-5-{[N-(4-methylpentanoyl)-
L-methionyl]amino}octanamide		A,B,C3DUY0.79
GSHGLUTATHIONEA,B,C,D,E,F1JLV0.7
GSHGLUTATHIONEA1EEM0.7
GSHGLUTATHIONEA,B1USB0.7
GSHGLUTATHIONEA3FZA0.7
GSHGLUTATHIONEA2IMF0.7
GSHGLUTATHIONEA,B1PX60.7
GSHGLUTATHIONEA,B1MD40.7
GSHGLUTATHIONEA2CZ20.7
GSHGLUTATHIONEA3FZ90.7
GSHGLUTATHIONEA,B,C,D1R4W0.7
GSHGLUTATHIONEA1ZHP0.7
GSHGLUTATHIONEA,B3E730.7
GSHGLUTATHIONEA1VF10.7
GSHGLUTATHIONEA3CRT0.7
GSHGLUTATHIONEA,B,C,D2VCX0.7
GSHGLUTATHIONEA,B,C,D1XW60.7
GSHGLUTATHIONEA3CRU0.7
GSHGLUTATHIONEA,B1B480.7
GSHGLUTATHIONEA2ZK20.7
GSHGLUTATHIONEA,B,C,D1IYH0.7
GSHGLUTATHIONEA,B,C,D1Q8M0.7
GSHGLUTATHIONEA,B,C,D2PBJ0.7
GSHGLUTATHIONEA,B,C,D2VCQ0.7
GSHGLUTATHIONEA1GRA0.7
GSHGLUTATHIONEA,B1QGJ0.7
GSHGLUTATHIONEA2HGS0.7
GSHGLUTATHIONEA,B,C,D2VD10.7
GSHGLUTATHIONEA1ZHM0.7
GSHGLUTATHIONEA,B,C,D2VCZ0.7
GSHGLUTATHIONEC1KCG0.7
GSHGLUTATHIONEA,B1MD30.7
GSHGLUTATHIONEA,B2IO90.7
GSHGLUTATHIONEA,B2JL40.7
GSHGLUTATHIONEA3DK80.7
GSHGLUTATHIONEA3DK40.7
GSHGLUTATHIONEA,B,D2VCW0.7
GSHGLUTATHIONEA,B1XW50.7
GSHGLUTATHIONEA,B3FHS0.7
GSHGLUTATHIONEA,B1Y1A0.7
GSHGLUTATHIONEA1GRE0.7
GSHGLUTATHIONEA,B2HT90.7
GSHGLUTATHIONEA,B1DUG0.7
GSHGLUTATHIONEA,B,C,D2VD00.7
GSHGLUTATHIONEA,B1TYP0.7
GSHGLUTATHIONEA2FLS0.7
GSHGLUTATHIONEA,B1OE80.7
GSHGLUTATHIONEA,B1PX70.7
GSHGLUTATHIONEA3C1S0.7
GSHGLUTATHIONEA,B1F3A0.7
GSHGLUTATHIONEA1FW10.7
GSHGLUTATHIONEA,B2IMI0.7
GSHGLUTATHIONEA,B1LBK0.7
GSHGLUTATHIONEA,B2HQM0.7
GSHGLUTATHIONEA,B1TDI0.7
GSHGLUTATHIONEA,B,C,D1V400.7
GSHGLUTATHIONEA,B,C,D1IYI0.7
GSHGLUTATHIONEA3D0Z0.7
GSHGLUTATHIONEA,B1ZGN0.7
GSHGLUTATHIONEA,B,C,D2CVD0.7
GSHGLUTATHIONEA,B3C8E0.7
GSHGLUTATHIONEA,B,C1YJ60.7
GSHGLUTATHIONEA2IMD0.7
GSHGLUTATHIONEA2IME0.7
GSHGLUTATHIONEA3BHJ0.7
GSHGLUTATHIONEA,B1OE70.7
GSML-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGLYCINEA,B,C,D2AB60.76
TS5GLUTATHIONYLSPERMIDINEA1I5G0.7
EPMN-PALMITOYL-L-METHIONINEA,B1ZO90.84
TS22-AMINO-4-[4-(4-AMINO-4-CARBOXY-
BUTYRYLAMINO)-5,8,19,22-TETRAOXO-
1,2-DITHIA-6,9,13,18,21-PENTAAZA-
CYCLOTETRACOS-23-YLCARBAMOYL]-BUTYRIC ACID		A3GRT0.7
AXFA,B,C2F3F0.73
ACS1-[(1S)-CARBOXY-2-(METHYLSULFINYL)ETHYL]-
(3R)-[(5S)-5-AMINO-5-CARBOXYPENTANAMIDO]-
(4R)-SULFANYLAZETIDIN-2-ONE		A1QJF0.74
TGGGAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINEA2F2K0.71
TGGGAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINEA,B2V6K0.71
LASN-acetyl-S-({(2R,3S,4R)-3-hydroxy-
2-[(1S)-1-hydroxy-2-methylpropyl]-
4-methyl-5-oxopyrrolidin-2-yl}carbonyl)cysteine		A,B3DPM0.72
U17METHYL N-[(2S,3R)-3-AMINO-2-HYDROXYHEPTANOYL]-
L-SERYL-L-LEUCINATE		A2GGB0.71
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A2BJS0.8
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A1QJE0.8
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A1BK00.8
ACVL-D-(A-AMINOADIPOYL)-L-CYSTEINYL-
D-VALINE		A1BLZ0.8
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE		A1W050.76
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE		A1W060.76
BCVD-(L-A-AMINOADIPOYL)-L-CYSTEINYL-
D-CYCLOPROPYLGLYCINE		A2IVJ0.77
VB1N^6^-[(1R)-2-{[(1S)-1-carboxypropyl]amino}-
2-oxo-1-(sulfanylmethyl)ethyl]-
6-oxo-L-lysine		A2VBP0.76
HJ3(2R,4S)-2-[(1R)-1-{[(6S)-6-amino-
6-carboxyhexanoyl]amino}-2-oxoethyl]-
5,5-dimethyl-1,3-thiazolidine-4-
carboxylic acid		A3BEB0.77
AR9(2R,4S)-N-butyl-4-[(2S,5S,7R)-2,7-
dimethyl-3,15-dioxo-1,4-diazacyclopentadecan-
5-yl]-4-hydroxy-2-methylbutanamide		A,B,C3DV10.7
REXGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANYL-D-ALANINE		A1IKG0.74